ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00778
Compound Name5-(Methylsulfinyl)-4-Pentenenitrile
Chemical ClassOrganic Chemicals
Molecular Weight143.203
logP-0.243
H-Bond Donor0.00
H-Bond Acceptor6
Caco-2 Permeability33.972
logSwat0.301
Number of Primary Metabolites3
Polar Surface Area44.796
Rotatable Bonds4
logKhsa-1.344
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.539
Blood Brain Barrier (logBB)-0.564
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2489
NPACT   -
TaxKB   -
Structure Download

 






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